4-methyl-1-(triphenylmethyl)-1H-imidazole

• ChemBase ID: 798382
• Molecular Formular: C23H20N2
• Molecular Mass: 324.4183
• Monoisotopic Mass: 324.16264865
• SMILES: n1(cnc(c1)C)C(c1ccccc1)(c1ccccc1)c1ccccc1
• Canonical SMILES: Cc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C23H20N2/c1-19-17-25(18-24-19)23(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
• InChIKey: GDROHFZOCLUMKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-1-(triphenylmethyl)-1H-imidazole
• IUPAC Traditional name: 4-methyl-1-(triphenylmethyl)imidazole
• Synonyms: 1-triphenylmethyl-4-methylimidazole

Database IDs

• CAS Number: 82594-80-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.605708
• LogD (pH = 7.4): 5.3215013
• Log P: 5.366777
• Molar Refractivity: 103.5512 cm^3
• Polarizability: 39.539623 Å^3
• Polar Surface Area: 17.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 97%